Formation and dissociation of protonated cytosine-cytosine base pairs in i-motifs by ab initio quan

• 作 者: 张小虎 黎明 王延颋 欧阳钟灿
• 机 构: StateKeyLaboratoryofTheoreticalPhysics,DepartmentofPhysicalScience
• 出 处: 中国物理B：英文版
• 发表日期: 2014年2期
• 关键词: 量子化学计算 胞嘧啶 质子化 碱基对 图案 离解 碱性环境 酸性环境 ab initio quantum chemical calculation i-mot
• 基金项目: Project supported by the National Basic Research Program of China （973 Program, Grant No. 2013CB932804）, the National Natural Science Foundation ofChina （Grant Nos. 91227115 and 11121403）, and the Hun

Formation and dissociation mechanisms of C–C+base pairs in acidic and alkaline environments are investigated,employing ab initio quantum chemical calculations.Our calculations suggest that,in an acidic environment,a cytosine monomer is first protonated an